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DocumentationIdentifier: MM367568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367568 |
| SMILES |
CCN=CNCC(F)CN
|
| InChIKey |
BJAXASWQQJYYNN-UHFFFAOYSA-N
|
| MW [Da] |
147.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM105840
Similarity: 0.7125
Similarity to MM105840
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 118.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112667
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Similarity to MM112667
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368201
Similarity: 0.6442
Similarity to MM368201
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7836 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
